Information card for entry 4317390

Structure parameters

• Formula: C32 H44 F6 K N12 P
• Calculated formula: C32 H44 F6 K N12 P
• SMILES: [K]1234([n]5n(C(n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)c(cc5C)C)[n]1n(C(n2[n]3c(cc2C)C)n2[n]4c(cc2C)C)c(cc1C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)
• Authors of publication: Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 19 - 27
• a: 9.144 ± 0.004 Å
• b: 13.377 ± 0.006 Å
• c: 15.988 ± 0.007 Å
• α: 90°
• β: 92.291 ± 0.01°
• γ: 90°
• Cell volume: 1954.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No